NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 60 K 4.2625 8.3149 120.1351 56.3887 32.2192 174.7307 61 E 4.0079 8.0672 125.7003 56.5217 30.2514 176.2043 62 T 4.1305 8.2384 112.3345 61.2967 70.9353 174.4225 63 V 3.8076 7.9982 115.4576 60.5510 32.1716 175.5669 64 P 4.6356 0.0000 0.0000 62.8070 32.3906 174.5690 65 Y 4.5744 8.5307 116.4254 57.9307 40.5135 176.1417 66 Q 4.6456 7.9962 115.7509 55.3145 29.2076 175.0350 67 I 4.4556 7.3100 118.2794 59.4747 40.5259 173.8277 68 P 4.0070 0.0000 0.0000 65.2520 31.4365 176.3016 69 Y 4.8653 7.2352 114.9274 54.9431 41.5439 175.1269 70 T 4.5699 8.0942 114.5074 59.3783 72.5030 174.2836 71 P 4.2008 0.0000 0.0000 66.1549 31.5110 178.4283 72 S 4.1269 8.0950 112.5798 61.1527 62.0461 176.0307 73 E 3.8013 7.8438 120.4536 59.2758 29.2605 178.9891 74 L 3.9905 7.3966 118.2910 58.0518 41.7857 179.4843 75 E 4.5420 8.5657 120.0462 59.0079 29.3624 179.1800 76 E 3.9851 8.4198 119.3970 58.8445 29.6405 178.7119 77 L 3.9782 8.1514 121.0329 58.0576 42.3964 178.8167 78 Q 4.0023 8.1623 117.5975 59.5436 28.4710 178.5282 79 Q 4.0047 8.1349 120.3504 58.7175 28.7123 178.7859 80 N 4.3982 8.3886 117.3246 56.0779 38.5503 177.6589 81 I 3.7141 7.8278 121.7063 64.3275 37.1171 178.6471 82 K 4.1037 7.9259 117.9643 59.5139 32.5273 178.5628 83 L 4.2425 7.8799 119.5395 57.0333 41.7760 176.2645 84 E 4.3039 8.2431 116.8223 57.2178 31.2723 177.6815 85 L 4.1008 7.8007 121.2526 55.3057 42.7543 175.5852 86 E 4.7362 8.4677 115.8086 56.8143 34.0027 179.3549 87 G 3.8399 8.9487 111.1893 46.9048 0.0000 174.9288 88 K 4.6305 9.0318 119.4099 56.1785 33.0299 175.1912 89 E 4.5171 8.3744 117.2023 57.4287 32.3892 178.9002 90 Q 4.0159 8.0118 116.7369 58.9402 28.7197 177.9812 91 E 3.9003 8.1088 120.1729 59.3039 29.6149 178.9795 92 L 3.8268 7.8454 117.9338 57.7697 41.8166 178.9988 93 A 3.9643 7.6111 120.5721 55.5604 18.3619 179.7190 94 L 3.9693 8.3714 117.4244 57.7449 41.6035 179.1194 95 E 3.8446 8.5591 119.6789 59.5075 29.4683 178.7408 96 L 3.9080 7.9463 119.9807 57.8185 41.9230 178.7078 97 L 3.9219 7.7264 119.4491 58.4233 42.1898 178.3899 98 N 4.5188 8.6003 115.6136 56.6762 38.9347 176.1803 99 Y 4.3668 8.3773 118.3131 59.7816 38.3586 175.9465 100 L 4.2491 8.3126 122.5903 54.1043 43.4114 174.8677 101 N 4.4181 8.8637 124.9486 56.3063 38.6601 176.6423 102 E 3.4869 8.1254 117.3042 57.7849 29.7882 176.2875 103 K 4.6038 7.1227 117.8143 54.2695 32.6184 175.2524 104 G 3.7810 7.9585 122.0193 45.6833 0.0000 173.0472 105 F 4.0387 8.8831 123.0535 60.5569 40.2334 176.0340 106 L 4.2555 7.7115 119.6348 54.4130 42.5337 176.2094 107 S 4.1533 7.4260 111.8655 57.5101 62.7742 174.5657 108 K 4.6109 8.1008 121.7302 56.0152 32.7834 177.1109 109 S 4.3469 8.3712 114.6842 58.8924 63.5030 175.6500 110 V 3.6071 8.4848 115.4132 65.0478 31.0704 178.6991 111 E 3.9460 8.1652 117.5372 59.4738 29.2128 178.9684 112 E 3.9369 8.2326 118.5417 59.5521 29.5335 179.2346 113 I 3.6420 7.7420 119.1280 64.6112 37.1929 178.3495 114 S 4.0417 8.3264 113.9898 61.5744 62.0445 176.0304 115 D 4.3750 8.0582 120.5069 57.2285 40.5675 178.6002 116 V 3.7572 7.8763 118.4412 65.2120 32.0305 176.9972 117 L 4.1925 8.2475 118.3486 54.3410 41.8501 177.1821 118 R 3.7560 7.4604 115.0917 57.8460 28.2748 175.4324 119 C 4.7666 7.1624 113.9196 57.6362 30.6115 174.5185 120 S 4.2658 8.2035 116.9783 58.6080 64.1959 175.9918 121 V 3.5902 8.3315 124.9297 65.7971 31.4282 177.9391 122 E 3.9146 8.2462 117.1419 59.6831 29.0854 178.6718 123 E 3.8711 8.1234 120.0115 58.7761 29.7754 178.3172 124 L 3.9366 7.5981 120.1343 58.0791 41.9447 178.6338 125 E 3.9134 8.4877 119.7540 59.0123 29.5432 178.8939 126 K 3.9361 8.1079 118.4567 59.6693 32.2207 179.6983 127 V 3.6159 7.8383 112.5166 64.5361 31.4050 178.9407 128 R 3.9333 8.1172 117.7032 59.4618 29.8848 179.2235 129 Q 3.9989 8.4483 118.1709 58.8066 28.4187 178.9678 130 K 4.0074 8.1120 119.1129 59.1540 32.2042 179.2052 131 V 4.1045 7.7802 110.8620 62.6533 32.0643 177.3481 132 L 4.3551 7.9700 120.1544 56.4537 42.0399 178.1401 133 R 3.9503 7.9754 115.8078 59.2242 29.0112 177.7121 134 L 4.1090 7.9396 118.2035 57.7559 41.8722 176.8214 135 E 4.1719 7.9538 120.7844 56.8930 29.3891 176.9045 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 60 K 8.31 4.26 0.00 1.77 1.86 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.48 7.81 61 E 8.07 4.01 0.00 2.04 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 62 T 8.24 4.13 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 63 V 8.00 3.81 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.95 0.00 0.00 64 P 0.00 4.64 0.00 2.22 2.14 0.00 3.71 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 65 Y 8.53 4.57 0.00 2.82 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 Q 8.00 4.65 0.00 2.32 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.66 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 67 I 7.31 4.46 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.93 0.79 0.00 0.00 68 P 0.00 4.01 0.00 1.02 1.78 0.00 3.57 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.84 0.00 69 Y 7.24 4.87 0.00 2.94 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.09 4.57 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 71 P 0.00 4.20 0.00 2.27 2.33 0.00 3.65 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.99 0.00 72 S 8.10 4.13 0.00 3.90 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 7.84 3.80 0.00 1.60 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 74 L 7.40 3.99 0.00 1.80 1.72 0.99 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 75 E 8.57 4.54 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.23 0.00 76 E 8.42 3.99 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 77 L 8.15 3.98 0.00 2.05 1.74 0.95 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 8.16 4.00 0.00 2.34 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.58 0.00 0.00 0.00 0.00 0.00 2.58 2.44 0.00 79 Q 8.13 4.00 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.84 0.00 0.00 0.00 0.00 0.00 2.46 2.56 0.00 80 N 8.39 4.40 0.00 2.99 3.02 0.00 0.00 7.14 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 I 7.83 3.71 2.08 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.23 0.96 0.00 0.00 82 K 7.93 4.10 0.00 1.93 1.95 0.00 1.59 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.65 1.48 7.81 83 L 7.88 4.24 0.00 1.74 1.77 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 84 E 8.24 4.30 0.00 2.04 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 85 L 7.80 4.10 0.00 1.88 1.74 0.98 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 86 E 8.47 4.74 0.00 2.17 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 87 G 8.95 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 K 9.03 4.63 0.00 1.69 1.75 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.41 7.81 89 E 8.37 4.52 0.00 2.08 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.36 0.00 90 Q 8.01 4.02 0.00 2.27 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 7.00 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 91 E 8.11 3.90 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.33 0.00 92 L 7.85 3.83 0.00 1.64 1.66 0.89 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 93 A 7.61 3.96 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 L 8.37 3.97 0.00 1.83 1.75 1.01 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 95 E 8.56 3.84 0.00 2.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.47 0.00 96 L 7.95 3.91 0.00 1.72 1.60 0.89 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 97 L 7.73 3.92 0.00 1.94 1.82 1.02 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 98 N 8.60 4.52 0.00 2.76 3.02 0.00 0.00 7.39 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 Y 8.38 4.37 0.00 3.10 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 L 8.31 4.25 0.00 1.72 1.54 0.91 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 101 N 8.86 4.42 0.00 2.73 2.85 0.00 0.00 7.10 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 E 8.13 3.49 0.00 1.84 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.16 0.00 103 K 7.12 4.60 0.00 1.78 1.72 0.00 1.62 0.00 0.00 1.52 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.32 7.81 104 G 7.96 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 F 8.88 4.04 0.00 2.97 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 L 7.71 4.26 0.00 2.04 1.90 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 107 S 7.43 4.15 0.00 4.04 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 K 8.10 4.61 0.00 1.77 1.77 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.41 7.81 109 S 8.37 4.35 0.00 3.87 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 V 8.48 3.61 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.92 0.00 0.00 111 E 8.17 3.95 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 112 E 8.23 3.94 0.00 2.16 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.49 0.00 113 I 7.74 3.64 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.63 0.88 0.00 0.00 114 S 8.33 4.04 0.00 3.86 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 D 8.06 4.37 0.00 2.94 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 V 7.88 3.76 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.97 0.00 0.00 117 L 8.25 4.19 0.00 1.97 1.56 0.75 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 118 R 7.46 3.76 0.00 2.00 1.98 0.00 3.33 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 119 C 7.16 4.77 0.00 3.02 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 S 8.20 4.27 0.00 3.85 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 V 8.33 3.59 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.92 0.00 0.00 122 E 8.25 3.91 0.00 2.22 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 123 E 8.12 3.87 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 124 L 7.60 3.94 0.00 1.67 1.81 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 125 E 8.49 3.91 0.00 2.08 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 126 K 8.11 3.94 0.00 1.93 1.83 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.57 7.81 127 V 7.84 3.62 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.99 0.00 0.00 128 R 8.12 3.93 0.00 2.08 1.95 0.00 3.25 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 129 Q 8.45 4.00 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.67 2.67 0.00 130 K 8.11 4.01 0.00 1.98 1.87 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.47 7.81 131 V 7.78 4.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 1.01 0.00 0.00 132 L 7.97 4.36 0.00 1.82 1.67 0.87 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 133 R 7.98 3.95 0.00 2.00 2.29 0.00 3.14 0.00 0.00 3.51 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.70 0.00 134 L 7.94 4.11 0.00 1.68 1.82 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 135 E 7.95 4.17 0.00 2.10 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00